3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal

C14H28O2Si — CID 73158354

IUPAC3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal
SMILESCC=CCCC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h7-8,12-13H,9-11H2,1-6H3
InChIKeyROBHLWQYQPZYLR-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal

3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal (PubChem CID 73158354) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal
PubChem CID73158354
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal
SMILESCC=CCCC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h7-8,12-13H,9-11H2,1-6H3
InChIKeyROBHLWQYQPZYLR-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal (CID 73158354) is 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal is CC=CCCC(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal?
The InChIKey is ROBHLWQYQPZYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4/h7-8,12-13H,9-11H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal?
3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxyoct-6-enal is sourced from PubChem (CID 73158354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).